Vitas-M small molecule compound

ethyl 5-carbamoyl-4-methyl-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK460452
SMILES CCOC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc(c1C)C(=O)N

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H15N3O6S MW 377.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O6S/c1-3-25-16(22)11-8(2)12(13(17)20)26-15(11)18-14(21)9-5-4-6-10(7-9)19(23)24/h4-7H,3H2,1-2H3,(H2,17,20)(H,18,21)
InChIKey
NBBQVEMZMJAFEU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc(c1C)C(=O)N
ethyl5carbamoyl4methyl2(((3nitrophenyl)carbonyl)amino)thiophene3carboxylate
ETHYL5CARBAMOYL4METHYL2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5CARBAMOYL4METHYL2((3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC16H15N3O6Sc132516(22)118(2)12(13(17)20)2615(11)1814(21)954610(79)19(23)24h47H3H212H3(H21720)(H1821)
MFCD03365794
ZINC000006047169
ZINC06047169
ZINC6047169

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Available files

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